Geometry & MOs

Info

ID:	270096
PubChem CID:	103627832
Reduced:	O2N3C17H33 (1)
Stoich.:	A2B3C17D33 (1)
Weight, g/mol:	341.98155
ΔH_f, kcal/mol:	-134.6
Dipole, Da:	1.97
IP(EA), eV:	-8.72(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-2-fluoro-5-nitroaniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NCC2CCCN(C2)C

DOS

IR

Vibrations